CID 2734849

61267-44-5

Structural Information

Molecular Formula
C20H26I
SMILES
CC(C)(C)C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C(C)(C)C
InChI
InChI=1S/C20H26I/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6/h7-14H,1-6H3/q+1
InChIKey
DNFSNYQTQMVTOK-UHFFFAOYSA-N
Compound name
bis(4-tert-butylphenyl)iodanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14742
Patents

393.1079 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.11518 184.4
[M+Na]+ 416.09712 183.9
[M-H]- 392.10062 183.7
[M+NH4]+ 411.14172 195.5
[M+K]+ 432.07106 180.1
[M+H-H2O]+ 376.10516 176.3
[M+HCOO]- 438.10610 197.8
[M+CH3COO]- 452.12175 205.7
[M+Na-2H]- 414.08257 178.8
[M]+ 393.10735 181.3
[M]- 393.10845 181.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe